SCHEMBL8938182

SCHEMBL8938182

COc1cccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.52
SCN1A P35498 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
OPRM1 P35372 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
MCHR1 Q99705 1/20 0.45
UTS2R Q9UKP6 1/20 0.45
PRKACA P17612 3/20 0.44
PRKACG P22612 3/20 0.44
PRKACB P22694 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8938176 0.91 MAP2K1 (0.55) MAP2K1SCN1ASCN8AOPRM1SIGMAR1
SCHEMBL8938144 0.89 MAP2K1 (0.53) MAP2K1SCN1ASCN8AKDM4EALDH1A1
SCHEMBL8938119 0.89 MAP2K1 (0.55) MAP2K1SCN1ASCN8AOPRM1KDM4E
SCHEMBL8934981 0.89 MAP2K1 (0.59) MAP2K1SCN1ASCN8APRKACAPRKACG
SCHEMBL8935042 0.86 MAP2K1 (0.54) MAP2K1SCN1ASCN8AOPRM1MCHR1
SCHEMBL4009014 0.85 ROCK1 (0.54) OPRM1PRKACAPRKACGPRKACB
SCHEMBL8938150 0.85 MAP2K1 (0.57) MAP2K1MCHR1PRKACAPRKACGPRKACB
SCHEMBL8935003 0.85 MAP2K1 (0.57) MAP2K1SCN1ASCN8AOPRM1ALDH1A1
SCHEMBL8938278 0.85 MAP2K1 (0.59) MAP2K1SCN1ASCN8AOPRM1MCHR1
SCHEMBL8936448 0.85 ACHE (0.51) MAP2K1OPRM1MCHR1PRKACAPRKACG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 MAP2K1 1916/4885SCN1A 1086/4885SCN8A 2875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.